6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H19N5O3 — CID 171315383

IUPAC6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NCc3ccco3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C23H19N5O3/c1-2-28-11-10-18(26-28)19-13-17(22(29)24-14-16-9-6-12-30-16)20-21(27-31-23(20)25-19)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,24,29)
InChIKeyDXINMCZBWDTRFJ-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.30
Rot. Bonds6

About 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315383) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315383
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NCc3ccco3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C23H19N5O3/c1-2-28-11-10-18(26-28)19-13-17(22(29)24-14-16-9-6-12-30-16)20-21(27-31-23(20)25-19)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,24,29)
InChIKeyDXINMCZBWDTRFJ-UHFFFAOYSA-N
XLogP4.30
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
2-(pyridin-2-yl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
CID 25018073
6-(6-Ethyl-3-pyridinyl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681576
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-4-one
CID 71681741
US10034861, Example 167
CID 132273460
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 16295743
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601302
N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
6-[5-(Methylamino)-2-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681109
12-(1-Methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-6-pyridin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681111
6-(1-Methylpyrazol-3-yl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681737

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315383) is 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)NCc3ccco3)c3c(-c4ccccc4)noc3n2)n1.
What is the InChIKey of 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DXINMCZBWDTRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-2-28-11-10-18(26-28)19-13-17(22(29)24-14-16-9-6-12-30-16)20-21(27-31-23(20)25-19)15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,24,29).
What are the key properties of 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).